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Au_rate
E
Si_rate
age
Time since creation
calculator
ASE-calculator name
charge
Net charge in unit cell
|e|
energy
Total energy
eV
fmax
Maximum force
eV/Ang
formula
Chemical formula
id
Uniqe row ID
magmom
Magnetic moment
au
mass
Sum of atomic masses in unit cell
au
natoms
Number of atoms
pbc
Periodic boundary conditions
smax
Maximum stress on unit cell
eV/Ang
3
unique_id
Random (unique) ID
user
Username
volume
Volume of unit cell
Ang
3
Displaying rows 26-50 out of 2180
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E
ASE-calculator name (calculator)
Maximum force (fmax)
Magnetic moment (magmom)
Number of atoms (natoms)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Username
✕
Charge
✕
Age
✕
PBC
✕
Mass
✕
Volume
✕
Au_rate
✕
Energy
✕
Maximum stress
✕
Si_rate
✕
26
Au
10
Si
4
yangxb
0.000
59M
TTT
2082.006
1721.431
0.714
-50.373
0.001
0.286
27
Au
10
Si
4
yangxb
0.000
59M
TTT
2082.006
1721.907
0.714
-50.380
0.001
0.286
28
Au
10
Si
4
yangxb
0.000
59M
TTT
2082.006
1721.764
0.714
-50.378
0.000
0.286
29
Au
10
Si
4
yangxb
0.000
59M
TTT
2082.006
1721.743
0.714
-50.370
0.000
0.286
30
Au
10
Si
4
yangxb
0.000
59M
TTT
2082.006
1721.783
0.714
-50.379
0.001
0.286
31
Au
10
Si
4
yangxb
0.000
59M
TTT
2082.006
1721.196
0.714
-50.380
0.000
0.286
32
Au
10
Si
4
yangxb
0.000
59M
TTT
2082.006
1721.686
0.714
-50.383
0.000
0.286
33
Au
10
Si
4
yangxb
0.000
59M
TTT
2082.006
1721.952
0.714
-50.372
0.001
0.286
34
Au
10
Si
4
yangxb
0.000
59M
TTT
2082.006
1722.454
0.714
-50.365
0.001
0.286
35
Au
10
Si
4
yangxb
0.000
59M
TTT
2082.006
1722.269
0.714
-50.370
0.001
0.286
36
Au
10
Si
4
yangxb
0.000
59M
TTT
2082.006
1722.023
0.714
-50.375
0.001
0.286
37
Au
10
Si
4
yangxb
0.000
59M
TTT
2082.006
1721.960
0.714
-50.371
0.001
0.286
38
Au
10
Si
4
yangxb
0.000
59M
TTT
2082.006
1721.867
0.714
-50.378
0.001
0.286
39
Au
10
Si
4
yangxb
0.000
59M
TTT
2082.006
1721.952
0.714
-50.380
0.000
0.286
40
Au
10
Si
4
yangxb
0.000
59M
TTT
2082.006
1721.748
0.714
-50.379
0.001
0.286
41
Au
10
Si
4
yangxb
0.000
59M
TTT
2082.006
1721.747
0.714
-50.380
0.001
0.286
42
Au
10
Si
4
yangxb
0.000
59M
TTT
2082.006
1722.174
0.714
-50.381
0.000
0.286
43
Au
10
Si
4
yangxb
0.000
59M
TTT
2082.006
1721.793
0.714
-50.378
0.001
0.286
44
Au
10
Si
4
yangxb
0.000
59M
TTT
2082.006
1722.066
0.714
-50.365
0.001
0.286
45
Au
10
Si
4
yangxb
0.000
59M
TTT
2082.006
1721.811
0.714
-50.382
0.001
0.286
46
Au
10
Si
4
yangxb
0.000
59M
TTT
2082.006
1721.955
0.714
-50.373
0.001
0.286
47
Au
10
Si
4
yangxb
0.000
59M
TTT
2082.006
1721.958
0.714
-50.376
0.001
0.286
48
Au
10
Si
4
yangxb
0.000
59M
TTT
2082.006
1721.958
0.714
-50.381
0.001
0.286
49
Au
10
Si
4
yangxb
0.000
59M
TTT
2082.006
1721.802
0.714
-50.377
0.001
0.286
50
Au
10
Si
4
yangxb
0.000
59M
TTT
2082.006
1721.991
0.714
-50.373
0.001
0.286
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